3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid

C10H11F3N2O3S — CID 167936797

IUPAC3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCc1nc(C)c(C(=O)NC(CC(=O)O)C(F)(F)F)s1
InChIInChI=1S/C10H11F3N2O3S/c1-4-8(19-5(2)14-4)9(18)15-6(3-7(16)17)10(11,12)13/h6H,3H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOCZSXZNMOMMUFC-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.90
Rot. Bonds4

About 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid

3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid (PubChem CID 167936797) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid
PubChem CID167936797
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCc1nc(C)c(C(=O)NC(CC(=O)O)C(F)(F)F)s1
InChIInChI=1S/C10H11F3N2O3S/c1-4-8(19-5(2)14-4)9(18)15-6(3-7(16)17)10(11,12)13/h6H,3H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOCZSXZNMOMMUFC-UHFFFAOYSA-N
XLogP1.90
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid with MolForge

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Related Compounds

(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825
N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120506203
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 43630699
3-[(2,5-dimethylthiophene-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 167952807
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methoxypropanoic acid
CID 81076692
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 43240530
(2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 112734821
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578
4,4,4-trifluoro-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 138057763
N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103807307
N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119614140

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid (CID 167936797) is 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid is Cc1nc(C)c(C(=O)NC(CC(=O)O)C(F)(F)F)s1.
What is the InChIKey of 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid?
The InChIKey is OCZSXZNMOMMUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-4-8(19-5(2)14-4)9(18)15-6(3-7(16)17)10(11,12)13/h6H,3H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid?
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid has a molecular weight of 296.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 167936797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).